Avitriptan
TL;DR: Avitriptan (CAS 151140-96-4) is a chemical compound with molecular formula C22H30N6O3S and molecular weight 458.21002 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
Also Known As: Avitriptan, Avitriptan [INN], avitriptanum, Avitriptan fumarate, 151140-96-4 (free base)
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C22H30N6O3S |
| Molecular Weight | 458.21002 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 458.21002 Da |
| Heavy Atoms | 32 |
| Complexity | 682.0 |
| SMILES | CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCCN3CCN(CC3)C4=NC=NC=C4OC |
| InChIKey | WRZVGHXUPBWIOO-UHFFFAOYSA-N |
Chemical Property Profile of Avitriptan
Property Insights of Avitriptan
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Avitriptan. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Avitriptan. Following Lipinski's Rule of Five, Avitriptan has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Avitriptan?
The CAS number of Avitriptan is 151140-96-4.
What is the molecular formula of Avitriptan?
The molecular formula of Avitriptan is C22H30N6O3S.
What is the molecular weight of Avitriptan?
The molecular weight of Avitriptan is 458.21002 g/mol.
Where can I buy Avitriptan?
You can request a quote for Avitriptan directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Avitriptan?
Yes, CoreyChem provides custom synthesis services for Avitriptan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.